SCHEMBL9996158

SCHEMBL9996158

O=Cc1ccc(-c2ccc3oc4nc5ccccc5cc4c(=O)c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 8/20 0.50
PTPN1 P18031 2/20 0.41
PTPN2 P17706 1/20 0.41
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
IKBKE Q14164 3/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
RECQL P46063 2/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
IP6K1 Q92551 1/20 0.36
KDM4E B2RXH2 4/20 0.36
NPC1 O15118 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL177371 0.77 TBK1 (0.55) TBK1IKBKEALDH1A1HPGDMEN1
SCHEMBL9996189 0.73 S1PR1 (0.50) TBK1
SCHEMBL17756812 0.73 TBK1 (0.43) TBK1CASP3SENP7SENP6ALDH1A1
SCHEMBL17690411 0.70 ESR1 (0.46) TBK1PTPN1ALDH1A1HPGDESR1
SCHEMBL22969819 0.69 CASP3 (0.55) CASP3SENP7SENP6ALDH1A1HPGD
SCHEMBL17690424 0.69 CYP11B1 (0.39) TBK1ALDH1A1HPGDESR1POLB
SCHEMBL10617204 0.68 IDO1 (0.49) ALDH1A1HPGDPOLBTDP1MEN1
SCHEMBL12182006 0.68 PLA2G2A (0.61) TBK1PTPN1PTPN2CASP3SENP7
SCHEMBL12182004 0.68 PLA2G2A (0.61) TBK1PTPN1PTPN2CASP3SENP7
SCHEMBL4572512 0.68 PLA2G2A (0.61) TBK1PTPN1PTPN2CASP3SENP7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US disclosed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-8592399-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2013-11-26 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 TBK1 731/4885PTPN1 1154/4885PTPN2 1106/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 TBK1 731/4885PTPN1 1154/4885PTPN2 1106/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 TBK1 449/4885PTPN1 1484/4885PTPN2 1398/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.